(3-bromo-2-chloro-6-fluorophenyl)methanol

C7H5BrClFO — CID 74892834

IUPAC(3-bromo-2-chloro-6-fluorophenyl)methanol
SMILESOCc1c(F)ccc(Br)c1Cl
InChIInChI=1S/C7H5BrClFO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3H2
InChIKeyPGKSLPNFKYEKDJ-UHFFFAOYSA-N
MW239.47 g/mol
LogP2.73
Rot. Bonds1

About (3-bromo-2-chloro-6-fluorophenyl)methanol

(3-bromo-2-chloro-6-fluorophenyl)methanol (PubChem CID 74892834) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is (3-bromo-2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chloro-6-fluorophenyl)methanol
PubChem CID74892834
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name(3-bromo-2-chloro-6-fluorophenyl)methanol
SMILESOCc1c(F)ccc(Br)c1Cl
InChIInChI=1S/C7H5BrClFO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3H2
InChIKeyPGKSLPNFKYEKDJ-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-chloro-6-fluorophenyl)methanesulfonic acid
CID 87086597
3-(3-bromo-2-chloro-6-fluorophenyl)propanoic acid
CID 117452025
(2-chloro-6-fluoro-3-methylsulfanylphenyl)methanol
CID 171367252
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
4-bromo-2-chloro-3-(hydroxymethyl)phenol
CID 66643855
1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
CID 131574460
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chloro-6-fluorophenyl)methanol?
The IUPAC name of (3-bromo-2-chloro-6-fluorophenyl)methanol (CID 74892834) is (3-bromo-2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-2-chloro-6-fluorophenyl)methanol is OCc1c(F)ccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chloro-6-fluorophenyl)methanol?
The InChIKey is PGKSLPNFKYEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3H2.
What are the key properties of (3-bromo-2-chloro-6-fluorophenyl)methanol?
(3-bromo-2-chloro-6-fluorophenyl)methanol has a molecular weight of 239.47 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 74892834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).